Efficient Detection of Nerve Agents through Carbon Nitride Quantum Dots: A DFT Approach.

V-series nerve agents electron density differences (EDD) frontier molecular orbital (FMO) organophosphorus compounds sensing

Journal

Nanomaterials (Basel, Switzerland)
ISSN: 2079-4991
Titre abrégé: Nanomaterials (Basel)
Pays: Switzerland
ID NLM: 101610216

Informations de publication

Date de publication:
06 Jan 2023
Historique:
received: 22 12 2022
revised: 29 12 2022
accepted: 01 01 2023
entrez: 21 1 2023
pubmed: 22 1 2023
medline: 22 1 2023
Statut: epublish

Résumé

V-series nerve agents are very lethal to health and cause the inactivation of acetylcholinesterase which leads to neuromuscular paralysis and, finally, death. Therefore, rapid detection and elimination of V-series nerve agents are very important. Herein, we have carried out a theoretical investigation of carbon nitride quantum dots (C

Identifiants

pubmed: 36678006
pii: nano13020251
doi: 10.3390/nano13020251
pmc: PMC9864457
pii:
doi:

Types de publication

Journal Article

Langues

eng

Subventions

Organisme : King Faisal University
ID : 2262

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Auteurs

Yasair S S Al-Faiyz (YSS)

Department of Chemistry, College of Science, King Faisal University, Al-Ahsa 31982, Saudi Arabia.

Sehrish Sarfaraz (S)

Department of Chemistry, COMSATS University Islamabad, Abbottabad Campus, Abbottabad 22060, Pakistan.

Muhammad Yar (M)

Department of Chemistry, COMSATS University Islamabad, Abbottabad Campus, Abbottabad 22060, Pakistan.

Sajida Munsif (S)

Department of Chemistry, COMSATS University Islamabad, Abbottabad Campus, Abbottabad 22060, Pakistan.

Adnan Ali Khan (AA)

Centre for Computational Materials Science, University of Malakand, Chakdara 18800, Pakistan.
Department of Chemistry, University of Malakand, Chakdara 18800, Pakistan.

Bin Amin (B)

Department of Physics, Abbottabad University of Science & Technology, Abbottabad 22010, Pakistan.

Nadeem S Sheikh (NS)

Chemical Sciences, Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, Gadong BE1410, Brunei.

Khurshid Ayub (K)

Department of Chemistry, COMSATS University Islamabad, Abbottabad Campus, Abbottabad 22060, Pakistan.

Classifications MeSH